Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(C=NNC(=O)C2=CNC(=O)NC2=O)C=C1
InChIKey
InChIKey=GPBPMSJIGMCIPB-UHFFFAOYSA-N
Formula
C16H17Cl2N5O3
Mass
398.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Ureas Lactams Azacyclic compounds Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic oxides Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine-5-carboxylic acid or derivatives - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Urea - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Alkyl chloride - Organic nitrogen compound - Alkyl halide - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available